SCHEMBL799120

SCHEMBL799120

CC(C)c1cnc(N)c(C(C)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 14/20 0.37
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
USP7 Q93009 1/20 0.30
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15975835 0.87 MAP3K12 (0.45) MAP3K12
SCHEMBL29435597 0.87 MAP3K12 (0.45) MAP3K12
SCHEMBL19754780 0.75 MAP3K12 (0.40) MAP3K12
SCHEMBL30867968 0.73 NOS3 (0.34) NOS3NOS1NOS2USP7
SCHEMBL83983 0.73 NOS3 (0.34) NOS3NOS1NOS2USP7
SCHEMBL15471948 0.72 HTT (0.42) NOS3NOS1NOS2USP7
SCHEMBL19754779 0.72 MAP3K12 (0.44) MAP3K12
SCHEMBL13278064 0.71 MAP3K12 (0.40) MAP3K12
SCHEMBL29910000 0.71 GABRA1 (0.38) NOS3NOS1NOS2
SCHEMBL84407 0.71 NOS3 (0.56) NOS3NOS1NOS2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MAP3K12 118/4885RXRA 3713/4885GRIN1 4137/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.